element(s):
['Cu', 'Ti']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1425']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.1425, 0, 0], [0, 3.1425, 0], [0, 0, 3.1425]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:16:15      -23.165536       10.6819
BFGS:    1 15:16:15      -23.990631        1.0843
BFGS:    2 15:16:15      -24.001992        0.2643
BFGS:    3 15:16:15      -24.002739        0.0099
BFGS:    4 15:16:15      -24.002740        0.0001
BFGS:    5 15:16:15      -24.002740        0.0000
BFGS:    6 15:16:15      -24.002740        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4030647708956826e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.232911810347808, -1.017215472623708e-32, -4.89486766580999e-33], [2.545266645547655e-33, 3.232911810347808, 7.285274600465369e-19], [1.2838208513174764e-33, 7.285274600465336e-19, 3.232911810347808]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.40306477e-15 -1.40306477e-15 -1.40306477e-15 -2.18592515e-31
  7.86215289e-34  7.64179440e-50]
energy per atom =  -12.001370156702283
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0